SCHEMBL8001645

SCHEMBL8001645

CC(N)Cn1ccc2cc(F)c(O)cc21

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.78
HTR2A P28223 17/20 0.78
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
HTR2B P41595 1/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8001642 1.00 HTR2C (0.78) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL8001801 0.92 HTR2C (0.67) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL8001799 0.92 HTR2C (0.67) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL8959516 0.88 HTR2C (1.00) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL8959582 0.88 HTR2C (1.00) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL13970610 0.84 HTR2C (0.80) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL29368348 0.82 HTR2C (1.00) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL8959930 0.82 HTR2C (1.00) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL255454 0.82 HTR2C (1.00) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL9233642 0.82 HTR2C (0.78) HTR2CHTR2ACYP1A2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO claimed
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed